Chem
J-GLOBAL ID：200907045923480394
Nikkaji number：J1.521.700F
3β-[1-(Hydroxyimino)-2-oxo-2-methoxyethyl]-6-chloro-2,3-dihydrobenzofuran-2β-carboxylic acid methyl ester
3β-[1-(ヒドロキシイミノ)-2-オキソ-2-メトキシエチル]-6-クロロ-2,3-ジヒドロベンゾフラン-2β-カルボン酸メチル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C13H12ClNO6
Molecular formula furigana： C13-H12-CL-N-O6
Molecular weight： 313.690
InChI：
InChI=1S/C13H12ClNO6/c1-19-12(16)10(15-18)9-7-4-3-6(14)5-8(7)21-11(9)13(17)20-2/h3-5,9,11,18H,1-2H3/t9-,11-/m1/s1
InChI key：
ZWCYIQROBBULHC-MWLCHTKSSA-N
SMILES：
COC(=O)[C@@H]1Oc2cc(Cl)ccc2[C@@H]1C(=NO)C(=O)OC
Systematic name (3)：
- 3β-[1-(ヒドロキシイミノ)-2-オキソ-2-メトキシエチル]-6-クロロ-2,3-ジヒドロベンゾフラン-2β-カルボン酸メチル
- メチル (2R,3R)-6-クロロ-3-[1-(ヒドロキシイミノ)-2-メトキシ-2-オキソエチル]-2,3-ジヒドロ-1-ベンゾフラン-2-カルボキシラート
- methyl (2R,3R)-6-chloro-3-[1-(hydroxyimino)-2-methoxy-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxylate
- 3β-[1-(Hydroxyimino)-2-oxo-2-methoxyethyl]-6-chloro-2,3-dihydrobenzofuran-2β-carboxylic acid methyl ester
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